1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

C20H30N4O — CID 110938324

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(c1ccc(CC)cc1)N(C)C
InChIInChI=1S/C20H30N4O/c1-5-16-9-11-17(12-10-16)19(24(3)4)15-23-20(21-6-2)22-14-18-8-7-13-25-18/h7-13,19H,5-6,14-15H2,1-4H3,(H2,21,22,23)
InChIKeyZOVMIFXLKUWAJL-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.20
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 110938324) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID110938324
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(c1ccc(CC)cc1)N(C)C
InChIInChI=1S/C20H30N4O/c1-5-16-9-11-17(12-10-16)19(24(3)4)15-23-20(21-6-2)22-14-18-8-7-13-25-18/h7-13,19H,5-6,14-15H2,1-4H3,(H2,21,22,23)
InChIKeyZOVMIFXLKUWAJL-UHFFFAOYSA-N
XLogP3.20
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938328
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938826
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine
CID 111544295
1-ethyl-2-(furan-2-ylmethyl)-3-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 110937943
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-ethyl-2-(furan-2-ylmethyl)-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109494302
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790014
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
CID 111900257
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111968007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 110938324) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCC(c1ccc(CC)cc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is ZOVMIFXLKUWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-16-9-11-17(12-10-16)19(24(3)4)15-23-20(21-6-2)22-14-18-8-7-13-25-18/h7-13,19H,5-6,14-15H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 342.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 110938324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).